2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide

C22H25N3OS — CID 178078467

IUPAC2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide
SMILESO=C(NCCc1ccccc1)C(c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C22H25N3OS/c26-22(24-11-10-17-6-2-1-3-7-17)21(25-14-12-23-13-15-25)19-16-27-20-9-5-4-8-18(19)20/h1-9,16,21,23H,10-15H2,(H,24,26)
InChIKeyBJWGDTVFIPCQOM-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.21
Rot. Bonds6

About 2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide

2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide (PubChem CID 178078467) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide
PubChem CID178078467
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide
SMILESO=C(NCCc1ccccc1)C(c1csc2ccccc12)N1CCNCC1
InChIInChI=1S/C22H25N3OS/c26-22(24-11-10-17-6-2-1-3-7-17)21(25-14-12-23-13-15-25)19-16-27-20-9-5-4-8-18(19)20/h1-9,16,21,23H,10-15H2,(H,24,26)
InChIKeyBJWGDTVFIPCQOM-UHFFFAOYSA-N
XLogP3.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide (CID 178078467) is 2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide is O=C(NCCc1ccccc1)C(c1csc2ccccc12)N1CCNCC1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide?
The InChIKey is BJWGDTVFIPCQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c26-22(24-11-10-17-6-2-1-3-7-17)21(25-14-12-23-13-15-25)19-16-27-20-9-5-4-8-18(19)20/h1-9,16,21,23H,10-15H2,(H,24,26).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide?
2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide has a molecular weight of 379.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-(2-phenylethyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 178078467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).